COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527096
Chemical Name: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 493.65
Empirical Formula: C29H39N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.223
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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